Figure 4

The calculated energy levels (in eV) including conduction band (red), Fermi level (black) and valence band (blue) of most stable five configurations for both dyes A and B. The dashed lines represent the pristine TiO2.
The calculated energy levels (in eV) including conduction band (red), Fermi level (black) and valence band (blue) of most stable five configurations for both dyes A and B. The dashed lines represent the pristine TiO2.